Phenethylammonium | SBID = 363 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 27.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 105.1 | ||
| Sum Formula: | C8H12N+ | ||
| M / g/mol: | 122.191 | ||
| Complexity: | 65.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: Phenethylammonium
- Preferred Abbreviation: Phenethylammonium
- IUPAC Name: 2-phenylethylazanium
- CAS:
- CID: 448751
- InChiKey: BHHGXPLMPWCGHP-UHFFFAOYSA-O
- InChi: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
- CanoSmiles: C1=CC=C(C=C1)CC[NH3+]
- IsoSmiles: C1=CC=C(C=C1)CC[NH3+]
